2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide

C15H12FN3OS — CID 79128503

IUPAC2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CSc2cc(F)ccc2N)cc1
InChIInChI=1S/C15H12FN3OS/c16-11-3-6-13(18)14(7-11)21-9-15(20)19-12-4-1-10(8-17)2-5-12/h1-7H,9,18H2,(H,19,20)
InChIKeyLRYBYNWFLVVSTL-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.01
Rot. Bonds4

About 2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide

2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide (PubChem CID 79128503) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide
PubChem CID79128503
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CSc2cc(F)ccc2N)cc1
InChIInChI=1S/C15H12FN3OS/c16-11-3-6-13(18)14(7-11)21-9-15(20)19-12-4-1-10(8-17)2-5-12/h1-7H,9,18H2,(H,19,20)
InChIKeyLRYBYNWFLVVSTL-UHFFFAOYSA-N
XLogP3.01
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 79127543
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 79533282
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide
CID 79128325
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 79512592
2-(4-amino-2-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide
CID 43302970
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43304409
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 79126482
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 79533863
N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
CID 9098665
2-(2-amino-5-fluorophenyl)sulfanyl-N-tert-butylacetamide
CID 79148601
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide
CID 79126805
2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79533619

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide (CID 79128503) is 2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide is N#Cc1ccc(NC(=O)CSc2cc(F)ccc2N)cc1.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide?
The InChIKey is LRYBYNWFLVVSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c16-11-3-6-13(18)14(7-11)21-9-15(20)19-12-4-1-10(8-17)2-5-12/h1-7H,9,18H2,(H,19,20).
What are the key properties of 2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide?
2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide has a molecular weight of 301.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 79128503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).